100078-01-1
(5-(5-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-1-OXOPENTYL)-2-(METHYLTHIO)PHENYL)UREA
Name(5-(5-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-1-OXOPENTYL)-2-(METHYLTHIO)PHENYL)UREA
1Identification
【Name】
(5-(5-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-1-OXOPENTYL)-2-(METHYLTHIO)PHENYL)UREA
【CAS】
【MDL】
MFCD01761530
【English Synonyms】
【Formula】
C24 H32 N4 O3 S
【MolWeight】
456.608
【Inchi】
InChI=1S/C24H32N4O3S/c1-31-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(32-2)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)
【InChIKey】
InChIKey=WIDHQVYDOHHBFY-UHFFFAOYSA-N
【SMILES】
COc1ccccc1N2CCN(CC2)CCCCC(=O)c3ccc(c(c3)NC(=O)N)SC
【MOL File】
(5-(5-(4-(2-METHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-(5-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-1-OXOPENTYL)-2-(METHYLTHIO)PHENYL)UREA.cml